NSC-741909

CAT: 0024-sc-507305Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-507305Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

92407-91-5

Chemical Information

1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-

CAS Number	92407-91-5
PubChem CID	11821732
IUPAC Name	[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
Molecular Formula	C16H14ClNO
Molecular Weight	271.74
XLogP	3.3
Topological Polar Surface Area	25.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	290

SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C16H14ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10,19H,9,11H2

InChIKey

WOUBLGRNDINCJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92407-91-5

CID: 11821732

Formula: C16H14ClNO

MW: 271.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.74
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	271.0763918
Monoisotopic Mass	271.0763918
Topological Polar Surface Area	25.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes